Chlorine in PDB 6qga: Crystal Structure of Ideonella Sakaiensis Mhetase Bound to the Non- Hydrolyzable Ligand Mheta

Enzymatic activity of Crystal Structure of Ideonella Sakaiensis Mhetase Bound to the Non- Hydrolyzable Ligand Mheta

All present enzymatic activity of Crystal Structure of Ideonella Sakaiensis Mhetase Bound to the Non- Hydrolyzable Ligand Mheta:
3.1.1.102;

Protein crystallography data

The structure of Crystal Structure of Ideonella Sakaiensis Mhetase Bound to the Non- Hydrolyzable Ligand Mheta, PDB code: 6qga was solved by G.J.Palm, L.Reisky, D.Boettcher, H.Mueller, E.A.P.Michels, C.Walczak, L.Berndt, M.S.Weiss, U.T.Bornscheuer, G.Weber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.11 / 2.10
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 112.153, 183.646, 246.752, 90.00, 90.00, 90.00
R / Rfree (%) 17.3 / 19.8

Other elements in 6qga:

The structure of Crystal Structure of Ideonella Sakaiensis Mhetase Bound to the Non- Hydrolyzable Ligand Mheta also contains other interesting chemical elements:

Calcium (Ca) 6 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Ideonella Sakaiensis Mhetase Bound to the Non- Hydrolyzable Ligand Mheta (pdb code 6qga). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Ideonella Sakaiensis Mhetase Bound to the Non- Hydrolyzable Ligand Mheta, PDB code: 6qga:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 6qga

Go back to Chlorine Binding Sites List in 6qga
Chlorine binding site 1 out of 4 in the Crystal Structure of Ideonella Sakaiensis Mhetase Bound to the Non- Hydrolyzable Ligand Mheta


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Ideonella Sakaiensis Mhetase Bound to the Non- Hydrolyzable Ligand Mheta within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl707

b:61.4
occ:1.00
 O B:ARG411 2.9 21.9 1.0
CE B:MET440 3.0 27.8 1.0
CA B:GLY261 3.3 20.8 1.0
CA B:ARG411 3.5 21.5 1.0
C B:ARG411 3.5 22.0 1.0
CA B:ALA417 3.5 21.6 1.0
CD B:ARG411 3.6 20.4 1.0
CA B:GLY258 3.6 20.1 1.0
O B:GLY258 3.6 20.5 1.0
CB B:ALA417 3.6 22.0 1.0
N B:ALA417 3.7 21.3 1.0
CB B:ARG411 3.8 21.3 1.0
C B:GLY261 3.9 21.2 1.0
SD B:MET440 4.0 21.9 1.0
C B:GLY258 4.0 20.2 1.0
N B:GLY261 4.1 20.4 1.0
N B:ALA262 4.2 21.1 1.0
C B:SER416 4.2 20.9 1.0
CG B:ARG411 4.2 20.8 1.0
OG B:SER416 4.3 20.9 1.0
NE B:ARG411 4.4 20.1 1.0
O B:ALA257 4.4 19.7 1.0
O B:SER416 4.5 20.7 1.0
N B:GLY258 4.6 19.7 1.0
O B:GLY261 4.6 21.5 1.0
CG B:MET440 4.6 25.4 1.0
O B:GLN410 4.8 21.8 1.0
CB B:SER416 4.8 20.6 1.0
N B:ARG411 4.8 21.8 1.0
N B:VAL412 4.8 22.5 1.0
C B:ALA257 4.9 19.6 1.0
C B:ALA417 4.9 21.8 1.0

Chlorine binding site 2 out of 4 in 6qga

Go back to Chlorine Binding Sites List in 6qga
Chlorine binding site 2 out of 4 in the Crystal Structure of Ideonella Sakaiensis Mhetase Bound to the Non- Hydrolyzable Ligand Mheta


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Ideonella Sakaiensis Mhetase Bound to the Non- Hydrolyzable Ligand Mheta within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl704

b:58.6
occ:1.00
 O C:ARG411 2.9 26.4 1.0
CE C:MET440 3.0 32.8 1.0
CA C:GLY261 3.3 26.3 1.0
CA C:GLY258 3.5 23.8 1.0
CD C:ARG411 3.5 24.2 1.0
CA C:ALA417 3.5 25.2 1.0
O C:GLY258 3.5 24.9 1.0
CA C:ARG411 3.6 25.7 1.0
C C:ARG411 3.6 26.4 1.0
CB C:ALA417 3.6 26.0 1.0
N C:ALA417 3.7 24.9 1.0
CB C:ARG411 3.8 25.5 1.0
C C:GLY261 3.9 29.1 1.0
C C:GLY258 4.0 24.3 1.0
N C:GLY261 4.0 24.9 1.0
SD C:MET440 4.1 28.4 1.0
N C:ALA262 4.1 26.1 1.0
C C:SER416 4.3 24.7 1.0
CG C:ARG411 4.3 24.8 1.0
OG C:SER416 4.3 26.6 1.0
O C:ALA257 4.3 23.5 1.0
NE C:ARG411 4.5 23.6 1.0
N C:GLY258 4.5 23.9 1.0
O C:SER416 4.5 23.9 1.0
O C:GLY261 4.6 29.0 1.0
CG C:MET440 4.7 28.1 1.0
CB C:SER416 4.7 23.9 1.0
C C:ALA257 4.8 23.1 1.0
N C:VAL412 4.9 27.1 1.0
N C:ARG411 4.9 25.8 1.0
C C:ALA417 4.9 25.3 1.0
O C:GLN410 5.0 25.6 1.0

Chlorine binding site 3 out of 4 in 6qga

Go back to Chlorine Binding Sites List in 6qga
Chlorine binding site 3 out of 4 in the Crystal Structure of Ideonella Sakaiensis Mhetase Bound to the Non- Hydrolyzable Ligand Mheta


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Ideonella Sakaiensis Mhetase Bound to the Non- Hydrolyzable Ligand Mheta within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl705

b:66.2
occ:1.00
 OG1 C:THR68 2.8 24.6 1.0
N C:ASN65 2.9 25.3 1.0
O C:HOH822 3.0 21.1 1.0
CD C:PRO64 3.3 25.1 1.0
CB C:ASN65 3.5 24.4 1.0
N C:PRO64 3.5 25.9 1.0
O C:ASN65 3.6 26.0 1.0
CB C:TRP63 3.6 26.3 1.0
CA C:ASN65 3.6 25.4 1.0
CB C:ALA203 3.7 22.4 1.0
CG C:PRO64 3.8 24.7 1.0
C C:PRO64 3.9 25.9 1.0
C C:TRP63 3.9 26.6 1.0
CB C:THR68 3.9 25.3 1.0
CB C:PRO64 4.0 25.0 1.0
CA C:PRO64 4.0 25.9 1.0
CE3 C:TRP63 4.0 24.8 1.0
C C:ASN65 4.1 26.1 1.0
CA C:ALA203 4.1 22.6 1.0
CA C:TRP63 4.1 26.6 1.0
CG2 C:THR68 4.4 24.9 1.0
CG C:TRP63 4.4 26.4 1.0
CD2 C:TRP63 4.5 25.7 1.0
N C:ALA203 4.6 22.3 1.0
CD1 C:ILE98 4.6 22.2 1.0
O C:TRP63 4.7 27.4 1.0
O C:HOH1031 4.8 39.6 1.0
O C:GLN199 4.8 21.6 1.0
CG C:ASN65 4.9 24.5 1.0
CG1 C:ILE98 4.9 22.8 1.0

Chlorine binding site 4 out of 4 in 6qga

Go back to Chlorine Binding Sites List in 6qga
Chlorine binding site 4 out of 4 in the Crystal Structure of Ideonella Sakaiensis Mhetase Bound to the Non- Hydrolyzable Ligand Mheta


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Ideonella Sakaiensis Mhetase Bound to the Non- Hydrolyzable Ligand Mheta within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl706

b:51.9
occ:1.00
 O E:ARG411 2.9 22.5 1.0
CE E:MET440 3.1 25.5 1.0
CA E:GLY261 3.3 20.9 1.0
CD E:ARG411 3.5 20.9 1.0
CA E:ARG411 3.5 21.9 1.0
C E:ARG411 3.5 22.4 1.0
CB E:ARG411 3.6 21.7 1.0
CA E:GLY258 3.6 20.2 1.0
O E:GLY258 3.7 20.9 1.0
C E:GLY261 3.7 21.4 1.0
CA E:ALA417 3.8 21.9 1.0
CB E:ALA417 3.8 22.4 1.0
N E:ALA262 3.9 21.4 1.0
SD E:MET440 3.9 28.2 1.0
N E:ALA417 4.0 21.6 1.0
N E:GLY261 4.1 20.8 1.0
C E:GLY258 4.1 20.6 1.0
CG E:ARG411 4.1 21.2 1.0
O E:ALA257 4.3 20.1 1.0
O E:GLY261 4.3 21.7 1.0
CG E:MET440 4.4 23.4 1.0
C E:SER416 4.5 21.2 1.0
OG E:SER416 4.5 20.6 1.0
NE E:ARG411 4.5 20.5 1.0
N E:GLY258 4.6 19.9 1.0
O E:SER416 4.7 21.1 1.0
N E:VAL412 4.8 22.9 1.0
N E:ARG411 4.8 22.0 1.0
CB E:SER416 4.9 20.8 1.0
C E:ALA257 4.9 19.9 1.0
O E:GLN410 4.9 21.9 1.0

Reference:

G.J.Palm, L.Reisky, D.Bottcher, H.Muller, E.A.P.Michels, M.C.Walczak, L.Berndt, M.S.Weiss, U.T.Bornscheuer, G.Weber. Structure of the Plastic-Degrading Ideonella Sakaiensis Mhetase Bound to A Substrate. Nat Commun V. 10 1717 2019.
ISSN: ESSN 2041-1723
PubMed: 30979881
DOI: 10.1038/S41467-019-09326-3
Page generated: Sat Dec 12 13:33:36 2020

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